[gmx-users] changing the parameter numbers for torsion

[David van der Spoel]

Rongliang Wu wrote:
> hello,gmx-users
> 
> 	i have a force field that contain 7 rychaert-bellemans dihedral coefficients, but in gromacs there are only 6, how can i manage it ?
> 	and where i should change the source code?
> 
maybe you can combine a RB with a proper dihedral with n=7 over the same 
bond.

> regards!
> 
> thanks!
>  				
> 
> 　　　　　　　　Rongliang Wu
> 　　　　　　　　wurl04 at iccas.ac.cn
> 　　　　　　　　　　2006-09-12
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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